4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol

C10H16NO- — CID 123481407

IUPAC4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol
SMILES[CH2-]N1CC(CC)=C(/C=C\C)C1O
InChIInChI=1S/C10H16NO/c1-4-6-9-8(5-2)7-11(3)10(9)12/h4,6,10,12H,3,5,7H2,1-2H3/q-1/b6-4-
InChIKeyASJJJYOAFTYNNI-XQRVVYSFSA-N
MW166.24 g/mol
LogP1.69
Rot. Bonds2

About 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol

4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol (PubChem CID 123481407) has the molecular formula C10H16NO- and a molecular weight of 166.24 g/mol. Its IUPAC name is 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol.

Molecular Properties

Compound Name4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol
PubChem CID123481407
Molecular FormulaC10H16NO-
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol
SMILES[CH2-]N1CC(CC)=C(/C=C\C)C1O
InChIInChI=1S/C10H16NO/c1-4-6-9-8(5-2)7-11(3)10(9)12/h4,6,10,12H,3,5,7H2,1-2H3/q-1/b6-4-
InChIKeyASJJJYOAFTYNNI-XQRVVYSFSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)methanol
CID 13994785
(E)-2-fluoro-5-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]-3-methylpent-2-en-1-ol
CID 153070584
(1-Butylazepin-3-yl)methanol
CID 53865811
3,7-Dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol
CID 54364222
[4-(Diethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 68213053
(1-butyl-3,6-dihydro-2H-pyridin-4-yl)methanol
CID 85791706
(2E,6E)-3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol
CID 88184597
(2S)-3-ethenyl-4-[(Z)-3-methoxyprop-1-enyl]-1-methyl-2,5-dihydropyrrol-2-ol
CID 118927885
5-methyl-1-(3-methylbutyl)-2H-pyridin-2-ol
CID 123677845
4-Ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123772804
1,5-diethyl-3-methyl-2H-pyridin-2-ol
CID 123967917
(1-propyl-3,6-dihydro-2H-pyridin-4-yl)methanol
CID 130124341

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol?
The IUPAC name of 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol (CID 123481407) is 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol.
What is the SMILES notation for 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol?
The canonical SMILES for 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol is [CH2-]N1CC(CC)=C(/C=C\C)C1O.
What is the InChIKey of 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol?
The InChIKey is ASJJJYOAFTYNNI-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16NO/c1-4-6-9-8(5-2)7-11(3)10(9)12/h4,6,10,12H,3,5,7H2,1-2H3/q-1/b6-4-.
What are the key properties of 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol?
4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol has a molecular weight of 166.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol is sourced from PubChem (CID 123481407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).