3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol

C14H22N2O — CID 144556832

IUPAC3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
SMILESC=Cc1[nH]cc(CC(C)(CO)NC)c1/C=C\C
InChIInChI=1S/C14H22N2O/c1-5-7-12-11(9-16-13(12)6-2)8-14(3,10-17)15-4/h5-7,9,15-17H,2,8,10H2,1,3-4H3/b7-5-
InChIKeyVSVPWRXQERFNAM-ALCCZGGFSA-N
MW234.34 g/mol
LogP2.20
Rot. Bonds6

About 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol

3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 144556832) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
PubChem CID144556832
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
SMILESC=Cc1[nH]cc(CC(C)(CO)NC)c1/C=C\C
InChIInChI=1S/C14H22N2O/c1-5-7-12-11(9-16-13(12)6-2)8-14(3,10-17)15-4/h5-7,9,15-17H,2,8,10H2,1,3-4H3/b7-5-
InChIKeyVSVPWRXQERFNAM-ALCCZGGFSA-N
XLogP2.20
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
CID 143749630
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 142855861
5-(1,3-benzodioxol-5-yl)-N-[3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propyl]-1,3-thiazol-2-amine
CID 143508719
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
CID 145421398
(2S)-2-[[3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-(prop-2-enoylamino)propanoyl]amino]-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-3-phenylpropanamide
CID 145181522
ethane;2-[5-ethenyl-4-[(Z)-prop-1-enyl]furan-3-yl]acetic acid
CID 144954463
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
CID 144715193
4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
CID 169200071

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol (CID 144556832) is 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol is C=Cc1[nH]cc(CC(C)(CO)NC)c1/C=C\C.
What is the InChIKey of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is VSVPWRXQERFNAM-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-7-12-11(9-16-13(12)6-2)8-14(3,10-17)15-4/h5-7,9,15-17H,2,8,10H2,1,3-4H3/b7-5-.
What are the key properties of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol?
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 144556832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).