(1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine

C9H13NO — CID 156867840

IUPAC(1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine
SMILESC=C/C(N)=C1/OCCCC1=C
InChIInChI=1S/C9H13NO/c1-3-8(10)9-7(2)5-4-6-11-9/h3H,1-2,4-6,10H2/b9-8-
InChIKeyOHOMKTKHZCCALW-HJWRWDBZSA-N
MW151.21 g/mol
LogP1.71
Rot. Bonds1

About (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine

(1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine (PubChem CID 156867840) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine.

Molecular Properties

Compound Name(1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine
PubChem CID156867840
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine
SMILESC=C/C(N)=C1/OCCCC1=C
InChIInChI=1S/C9H13NO/c1-3-8(10)9-7(2)5-4-6-11-9/h3H,1-2,4-6,10H2/b9-8-
InChIKeyOHOMKTKHZCCALW-HJWRWDBZSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-Dioxin-2-yl)cyclohexa-1,5-dien-1-amine
CID 69373695
5,8-Dihydropyrano[3,2-g]chromen-4-amine
CID 88018435
5H-chromen-8-amine
CID 90357645
2-(3-Methylbuta-1,3-dien-2-yloxy)cyclohexa-1,5-dien-1-amine
CID 134354789
5-Methoxy-2-methylcyclohexa-1,5-dien-1-amine
CID 144501884
(2E,4E)-5-methoxy-6-methylidenenona-2,4-dien-3-amine
CID 144560026
(1Z)-1-[(3E)-3-[(2E)-1-chloropenta-2,4-dienylidene]oxan-2-ylidene]-2-methylprop-2-en-1-amine
CID 169577988
7-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-7-amine
CID 156794167
CID 178816804
CID 178816804

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine?
The IUPAC name of (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine (CID 156867840) is (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine.
What is the SMILES notation for (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine?
The canonical SMILES for (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine is C=C/C(N)=C1/OCCCC1=C.
What is the InChIKey of (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine?
The InChIKey is OHOMKTKHZCCALW-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8(10)9-7(2)5-4-6-11-9/h3H,1-2,4-6,10H2/b9-8-.
What are the key properties of (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine?
(1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3-methylideneoxan-2-ylidene)prop-2-en-1-amine is sourced from PubChem (CID 156867840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).