N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline

C13H17N — CID 146497792

IUPACN-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline
SMILESC=CN(c1ccccc1)C(C)/C=C\C
InChIInChI=1S/C13H17N/c1-4-9-12(3)14(5-2)13-10-7-6-8-11-13/h4-12H,2H2,1,3H3/b9-4-
InChIKeyVUWQZIVOQLEGHZ-WTKPLQERSA-N
MW187.29 g/mol
LogP3.60
Rot. Bonds4

About N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline

N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline (PubChem CID 146497792) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline.

Molecular Properties

Compound NameN-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline
PubChem CID146497792
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline
SMILESC=CN(c1ccccc1)C(C)/C=C\C
InChIInChI=1S/C13H17N/c1-4-9-12(3)14(5-2)13-10-7-6-8-11-13/h4-12H,2H2,1,3H3/b9-4-
InChIKeyVUWQZIVOQLEGHZ-WTKPLQERSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-N-oxidoaniline
CID 88797777
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
CID 101008842
CID 101008842
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
N-methyl-N-[(Z)-4-methylpent-2-en-3-yl]aniline
CID 135253845
pent-3-en-2-yl(triphenyl)phosphanium
CID 73166732
[(Z)-pent-3-en-2-yl]-triphenylphosphanium
CID 13156142
4-[4-(N-[(3Z,5Z)-hepta-3,5-dien-2-yl]anilino)phenyl]-N,N-diphenylaniline
CID 167084027
N-phenyl-N-(5-trimethylsilylhex-3-enyl)aniline
CID 71391608
pent-3-en-2-ylsulfanylbenzene
CID 71350028
(2S)-2-(N-methylanilino)propanal
CID 21019512
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline?
The IUPAC name of N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline (CID 146497792) is N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline.
What is the SMILES notation for N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline?
The canonical SMILES for N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline is C=CN(c1ccccc1)C(C)/C=C\C.
What is the InChIKey of N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline?
The InChIKey is VUWQZIVOQLEGHZ-WTKPLQERSA-N. The full InChI is InChI=1S/C13H17N/c1-4-9-12(3)14(5-2)13-10-7-6-8-11-13/h4-12H,2H2,1,3H3/b9-4-.
What are the key properties of N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline?
N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline has a molecular weight of 187.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[(Z)-pent-3-en-2-yl]aniline is sourced from PubChem (CID 146497792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).