2-but-3-en-2-yl-N-prop-2-enylaniline

C13H17N — CID 45141266

IUPAC2-but-3-en-2-yl-N-prop-2-enylaniline
SMILESC=CCNc1ccccc1C(C)C=C
InChIInChI=1S/C13H17N/c1-4-10-14-13-9-7-6-8-12(13)11(3)5-2/h4-9,11,14H,1-2,10H2,3H3
InChIKeyTZPPCTNVPKVPSY-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.57
Rot. Bonds5

About 2-but-3-en-2-yl-N-prop-2-enylaniline

2-but-3-en-2-yl-N-prop-2-enylaniline (PubChem CID 45141266) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-but-3-en-2-yl-N-prop-2-enylaniline.

Molecular Properties

Compound Name2-but-3-en-2-yl-N-prop-2-enylaniline
PubChem CID45141266
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-but-3-en-2-yl-N-prop-2-enylaniline
SMILESC=CCNc1ccccc1C(C)C=C
InChIInChI=1S/C13H17N/c1-4-10-14-13-9-7-6-8-12(13)11(3)5-2/h4-9,11,14H,1-2,10H2,3H3
InChIKeyTZPPCTNVPKVPSY-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
3-[2-(prop-2-enylamino)phenyl]sulfanylbutanenitrile
CID 122156961
2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine
CID 138644287
2-isothiocyanato-N-prop-2-enylaniline
CID 174286741
N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180529
(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine
CID 87940344
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
calcium;2-but-3-en-2-ylbenzenesulfonic acid;hydride
CID 174836323
2-(1-hydrazinylethenyl)-N-prop-2-enylaniline
CID 166838231
1-but-3-en-2-yl-2-but-3-en-2-yloxybenzene
CID 167259472
3-chloro-2-fluoro-N-prop-2-enylaniline
CID 62139735
3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-N-prop-2-enylaniline?
The IUPAC name of 2-but-3-en-2-yl-N-prop-2-enylaniline (CID 45141266) is 2-but-3-en-2-yl-N-prop-2-enylaniline.
What is the SMILES notation for 2-but-3-en-2-yl-N-prop-2-enylaniline?
The canonical SMILES for 2-but-3-en-2-yl-N-prop-2-enylaniline is C=CCNc1ccccc1C(C)C=C.
What is the InChIKey of 2-but-3-en-2-yl-N-prop-2-enylaniline?
The InChIKey is TZPPCTNVPKVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-10-14-13-9-7-6-8-12(13)11(3)5-2/h4-9,11,14H,1-2,10H2,3H3.
What are the key properties of 2-but-3-en-2-yl-N-prop-2-enylaniline?
2-but-3-en-2-yl-N-prop-2-enylaniline has a molecular weight of 187.29 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-N-prop-2-enylaniline is sourced from PubChem (CID 45141266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).