N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine

C11H20N2 — CID 11412728

IUPACN-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
SMILESC/C(=C/C1=NCCC1)NCC(C)C
InChIInChI=1S/C11H20N2/c1-9(2)8-13-10(3)7-11-5-4-6-12-11/h7,9,13H,4-6,8H2,1-3H3/b10-7-
InChIKeyRQQMVOZKWSNAPQ-YFHOEESVSA-N
MW180.30 g/mol
LogP2.37
Rot. Bonds4

About N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine

N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine (PubChem CID 11412728) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
PubChem CID11412728
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
SMILESC/C(=C/C1=NCCC1)NCC(C)C
InChIInChI=1S/C11H20N2/c1-9(2)8-13-10(3)7-11-5-4-6-12-11/h7,9,13H,4-6,8H2,1-3H3/b10-7-
InChIKeyRQQMVOZKWSNAPQ-YFHOEESVSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine?
The IUPAC name of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine (CID 11412728) is N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine is C/C(=C/C1=NCCC1)NCC(C)C.
What is the InChIKey of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine?
The InChIKey is RQQMVOZKWSNAPQ-YFHOEESVSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)8-13-10(3)7-11-5-4-6-12-11/h7,9,13H,4-6,8H2,1-3H3/b10-7-.
What are the key properties of N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine?
N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 11412728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).